1-hexadecanoyl-2-(6Z,9Z-octadecadienoyl)-sn-glycero-3-phosphocholine

Base Information

• Chemical Name: 1-hexadecanoyl-2-(6Z,9Z-octadecadienoyl)-sn-glycero-3-phosphocholine
• CAS No.: 130614-06-1
• Molecular Formula: C42H80 N O8 P
• Molecular Weight: 758.0603
• Metabolomics Workbench ID: 13396
• Mol file: 130614-06-1.mol

Synonyms:1-palmitoyl-2-isolinoleoyl phosphatidylcholine;PiLPC

Chemical Property of 1-hexadecanoyl-2-(6Z,9Z-octadecadienoyl)-sn-glycero-3-phosphocholine

Chemical Property:

• Boiling Point: °Cat760mmHg
• Flash Point: °C
• PSA: 121.00000
• Density: g/cm³
• LogP: 12.01420
• XLogP3: 12.9
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 8
• Rotatable Bond Count: 40
• Exact Mass: 757.56215551
• Heavy Atom Count: 52
• Complexity: 941

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCCCCCCCCCCCCCC(=O)OCC(COP(=O)([O-])OCC[N+](C)(C)C)OC(=O)CCCCC=CCC=CCCCCCCCC
• Isomeric SMILES: CCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)([O-])OCC[N+](C)(C)C)OC(=O)CCCC/C=C\C/C=C\CCCCCCCC